SCHEMBL5659112

SCHEMBL5659112

COc1c(O)cc2c3c1-c1cc4c(cc1CC3N(C)CC2)OCO4

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD1 P21728 6/20 0.79
▸ DRD2 P14416 5/20 0.79
▸ HTR2A P28223 4/20 0.79
▸ HTR7 P34969 3/20 0.79
▸ HTR2B P41595 3/20 0.79
▸ ADRA1A P35348 2/20 0.79
▸ HTR5A P47898 2/20 0.79
▸ HTR6 P50406 2/20 0.79
▸ HTR2C P28335 2/20 0.79
▸ ADRB1 P08588 1/20 0.79
▸ ADRA2A P08913 1/20 0.79
▸ ADRA2B P18089 1/20 0.79
▸ ADRA2C P18825 1/20 0.79
▸ DRD4 P21917 1/20 0.79
▸ DRD5 P21918 1/20 0.79
▸ HRH2 P25021 1/20 0.79
▸ ADRA1D P25100 1/20 0.79
▸ HTR1D P28221 1/20 0.79
▸ HTR1B P28222 1/20 0.79
▸ SLC6A4 P31645 1/20 0.79

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14367903 1.00 DRD1 (0.79) DRD1DRD2HTR2AHTR7HTR2B
SCHEMBL31029794 1.00 DRD1 (0.79) DRD1DRD2HTR2AHTR7HTR2B
Nantenine SCHEMBL1254591 0.88 HTR2A (1.00) DRD1DRD2HTR2AHTR7HTR2B
Nantenine SCHEMBL1254592 0.88 HTR2A (1.00) DRD1DRD2HTR2AHTR7HTR2B
Boldine SCHEMBL29973042 0.85 ALDH1A1 (1.00) DRD1DRD2HTR2AHTR7HTR2B
Boldine SCHEMBL30184400 0.85 ALDH1A1 (1.00) DRD1DRD2HTR2AHTR7HTR2B
Boldine SCHEMBL177550 0.85 ALDH1A1 (1.00) DRD1DRD2HTR2AHTR7HTR2B
Boldine SCHEMBL7387149 0.85 ALDH1A1 (1.00) DRD1DRD2HTR2AHTR7HTR2B
Predicentrine SCHEMBL4410538 0.85 ALDH1A1 (0.91) DRD1DRD2HTR2AHTR7HTR2B
Boldine SCHEMBL177549 0.85 ALDH1A1 (1.00) DRD1DRD2HTR2AHTR7HTR2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7294715-B2 Aporphine and oxoaporphine compounds and pharmaceutical use thereof LOTUS PHARMACEUTICAL CO., LTD. (TW) 2007-11-13 — — US disclosed
US-20060211723-A1 Aporphine and oxoaporphine compounds and pharmaceutical use thereof LOTUS PHARMACEUTICAL CO., LTD. (TW) 2006-09-21 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060211723-A1 Aporphine and oxoaporphine compounds and pharmaceutical use thereof OGFRL1, THOP1, APOL1 DRD1 695/4885DRD2 858/4885HTR2A 338/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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